Talk:Mod:wsc108 module1

1.2.1 Cp dimers: Excellent discussion, your energies are fine.

1.2.2 NAD: Good discussion and a nice contrast of MM2 vs PM6. Also nice to see your optimisation presented graphically.

1.2.3 Taxol: Your energies are correct and you discussion is excellent.

1.3.1 Carbene: Will close spatial proximity of the Cl really render the pi bond electron deficient? A mention of bond lengths would be appropriate.

Mini-project: Interesting choice, organocatalysis is a hot topic right now. It is rather challenging to use 13C NMR quantitatively, nor can you integrate these peaks, if you’re looking to find the ratio of diastereomers then you’ll have to examine the 1H spectra. I imagine 1H NMR would be much more useful in telling the isomers apart, particularly looking at coupling constants or NOE spectra.

Overall: A very good effort.